SCHEMBL6243638

SCHEMBL6243638

Nc1nc(N)c(-c2ccc(NC(=O)NCCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)n1

nearest known ligand 0.90

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 19/20 0.90
▸ DHFR P00374 2/20 0.67
▸ CNR1 P21554 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6243616 0.95 GHSR (1.00) GHSRDHFR
SCHEMBL3633395 0.86 GHSR (0.81) GHSRDHFR
SCHEMBL6245988 0.85 GHSR (0.89) GHSRDHFR
SCHEMBL6401434 0.85 GHSR (1.00) GHSRDHFR
SCHEMBL6247503 0.85 GHSR (1.00) GHSRDHFR
SCHEMBL6242991 0.85 GHSR (0.81) GHSRDHFR
SCHEMBL3635032 0.84 GHSR (0.81) GHSRDHFR
SCHEMBL6246829 0.84 GHSR (0.63) GHSRDHFRCNR1
SCHEMBL6243582 0.84 GHSR (0.83) GHSRDHFR
SCHEMBL6406692 0.84 GHSR (0.80) GHSRDHFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 — — WO claimed
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